Cyclomenol

Base Information

• Chemical Name: Cyclomenol
• CAS No.: 5591-47-9
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• European Community (EC) Number: 227-002-6
• UNII: TB885DRP1J
• DSSTox Substance ID: DTXSID90204510
• Nikkaji Number: J8.021G
• Wikidata: Q27289876
• NCI Thesaurus Code: C80852
• ChEMBL ID: CHEMBL2104180
• Mol file: 5591-47-9.mol

Synonyms:Cyclomenol;5591-47-9;Cyclomenolum;2-cyclohexyl-3,5-dimethylphenol;Ciclomenol;Cyclomenol [INN:DCF];hexinol;Ciclomenol [INN-Spanish];Cyclomenolum [INN-Latin];UNII-TB885DRP1J;2-Cyclohexyl-3,5-xylenol;TB885DRP1J;EINECS 227-002-6;Cyclomenol [DCF:INN];CYCLOMENOL [INN];3,5-Xylenol, 2-cyclohexyl-;SCHEMBL2109474;CHEMBL2104180;DTXSID90204510;Phenol, 2-cyclohexyl-3,5-dimethyl-;FT-0693394;Q27289876

Chemical Property of Cyclomenol

Chemical Property:

• Vapor Pressure: 0.00181mmHg at 25°C
• Boiling Point: 283.7°C at 760 mmHg
• Flash Point: 127.6°C
• PSA: 20.23000
• Density: 1.013g/cm³
• LogP: 4.05670
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

98%Min ^*data from raw suppliers

CYCLOMENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)O)C2CCCCC2)C

Technology Process of Cyclomenol

There total 3 articles about Cyclomenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) + cyclohexene (110-83-8) → 2-cyclohexyl-3,5-dimethylphenol (5591-47-9) + cyclohexyl 3,5-dimethylphenyl ether (1369802-01-6)

Guidance literature:

With methanesulfonic acid; In 1,2-dichloro-ethane; at 84.84 ℃; for 4h;

DOI:10.1016/j.molcata.2011.12.007

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) + cyclohexene (110-83-8) → 4-cyclohexyl-3,5-dimethylphenol (92300-60-2) + 2-cyclohexyl-3,5-dimethylphenol (5591-47-9) + cyclohexyl 3,5-dimethylphenyl ether (1369802-01-6)

Guidance literature:

With Amberlyst 15; In 1,2-dichloro-ethane; at 84.84 ℃; for 4h;

DOI:10.1016/j.molcata.2011.12.007

Reference yield:

→ 2-cyclohexyl-3,5-dimethylphenol (5591-47-9)

Guidance literature:

3,5-Dimethylphenol, H3PO4, /BRN= 906744/;

upstream raw materials:

3,5-Dimethylphenol

cyclohexene

Refernces